Update app.py

app.py

@@ -309,13 +309,16 @@ def get_pdb(pdb_code="", filepath=""):
 
 
 def preprocess_mol(pdb_code="", filepath=""):
+    print(filepath.name)
+    print(pdb_code)
     if pdb_code is None or pdb_code == "":
         try:
             mol = Molecule(filepath.name)
         except AttributeError as e:
             return None
     else:
-        mol = Molecule(pdb_code)
+        os.system(f"wget -qnc https://files.rcsb.org/view/{pdb_code}.pdb")
+        mol = Molecule(f"{pdb_code}.pdb")
     mol.write("original.pdb")
     # clean messy files and only include protein itself
     mol.filter("protein")
@@ -426,9 +429,9 @@ def update(
     )
     from protein_mpnn_utils import StructureDataset, StructureDatasetPDB, ProteinMPNN
 
-    # pdb_path = get_pdb(pdb_code=inp, filepath=file)
+    #pdb_path = get_pdb(pdb_code=inp, filepath=file)
 
-    pdb_path, mol_index = preprocess_mol(pdb_code=inp, filepath=file)
+    pdb_path, mol_index = preprocess_mol(pdb_code=inp,filepath=file)
 
     if pdb_path == None:
         return "Error processing PDB"